N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide

C17H12ClF4NO2 — CID 142729781

IUPACN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1CCc2c(F)cc(Cl)cc21)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12ClF4NO2/c18-9-7-12-10(13(19)8-9)5-6-14(12)23-16(24)11-3-1-2-4-15(11)25-17(20,21)22/h1-4,7-8,14H,5-6H2,(H,23,24)/t14-/m1/s1
InChIKeyRDAYJFJUEOPCAB-CQSZACIVSA-N
MW373.73 g/mol
LogP4.80
Rot. Bonds3

About N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide

N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 142729781) has the molecular formula C17H12ClF4NO2 and a molecular weight of 373.73 g/mol. Its IUPAC name is N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide
PubChem CID142729781
Molecular FormulaC17H12ClF4NO2
Molecular Weight373.73 g/mol
Exact Mass373.05
IUPAC NameN-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1CCc2c(F)cc(Cl)cc21)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12ClF4NO2/c18-9-7-12-10(13(19)8-9)5-6-14(12)23-16(24)11-3-1-2-4-15(11)25-17(20,21)22/h1-4,7-8,14H,5-6H2,(H,23,24)/t14-/m1/s1
InChIKeyRDAYJFJUEOPCAB-CQSZACIVSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroxybenzamide
CID 142729740
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
CID 86833068
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
CID 139014844
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
CID 97333881
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-2-(trifluoromethoxy)benzamide
CID 166821771
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
methyl 3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67546137
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide (CID 142729781) is N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide is O=C(N[C@@H]1CCc2c(F)cc(Cl)cc21)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is RDAYJFJUEOPCAB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12ClF4NO2/c18-9-7-12-10(13(19)8-9)5-6-14(12)23-16(24)11-3-1-2-4-15(11)25-17(20,21)22/h1-4,7-8,14H,5-6H2,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide?
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 373.73 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 142729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).